GRL-0617 (CHEBI:167176)

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ChEBI Name	GRL-0617

ChEBI ID	CHEBI:167176

Definition	A benzamide resulting from the formal condensation of the carboxy group of 5-amino-2-methylbenzoic acid with the amino group of (1R)-1-(naphthalen-1-yl)ethan-1-amine. It is a potent noncovalent inhibitor (IC₅₀ = 600 nM) of severe acute respiratory syndrome-coronavirus papain-like protease (SARS-CoV PLpro).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Margaret Duesbury

Supplier Information

Download	Molfile XML SDF

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Formula

C20H20N2O

Net Charge

Average Mass

304.393

Monoisotopic Mass

304.15756

InChI

InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1

InChIKey

UVERBUNNCOKGNZ-CQSZACIVSA-N

SMILES

C[C@@H](NC(=O)C1=CC(N)=CC=C1C)C1=CC=CC2=CC=CC=C12

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. protease inhibitor A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).

ChEBI Ontology
Outgoing	GRL-0617 (CHEBI:167176) has role anticoronaviral agent (CHEBI:149553) GRL-0617 (CHEBI:167176) has role protease inhibitor (CHEBI:37670) GRL-0617 (CHEBI:167176) is a benzamides (CHEBI:22702) GRL-0617 (CHEBI:167176) is a naphthalenes (CHEBI:25477) GRL-0617 (CHEBI:167176) is a secondary carboxamide (CHEBI:140325) GRL-0617 (CHEBI:167176) is a substituted aniline (CHEBI:48975)

Incoming	KOM70144 (CHEBI:167314) has functional parent GRL-0617 (CHEBI:167176)

IUPAC Name

5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide

Synonyms	Sources
5-amino-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide	ChEBI
5-amino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamide	ChEBI
GRL 0617	ChEBI
GRL0617	ChEBI

Registry Number	Type	Source
1093070-16-6	CAS Registry Number	ChEBI

Last Modified

26 January 2021